(4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H20N2O — CID 14939098

IUPAC(4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C22H20N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15,20-21H,1H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyTVCGYCFXGHIRAF-NHCUHLMSSA-N
MW328.42 g/mol
LogP4.53
Rot. Bonds4

About (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 14939098) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID14939098
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1
InChIInChI=1S/C22H20N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15,20-21H,1H3,(H,23,24)/t20-,21-/m1/s1
InChIKeyTVCGYCFXGHIRAF-NHCUHLMSSA-N
XLogP4.53
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 14939098) is (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1.
What is the InChIKey of (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is TVCGYCFXGHIRAF-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15,20-21H,1H3,(H,23,24)/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 328.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(4-methoxyphenyl)-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 14939098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).